4-(4-butoxyphenyl)-1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(4-butoxyphenyl)-1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-butoxyphenyl)-1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D066-0078 |
| Compound Name: | 4-(4-butoxyphenyl)-1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C23 H31 N3 O4 S |
| Smiles: | CCCCOc1ccc(cc1)C1c2c(nn(C3CCOC(C)(C)C3)c2NC(CS1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0244 |
| logD: | 3.3822 |
| logSw: | -3.8045 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.256 |
| InChI Key: | DCUTXYJFDIFGER-UHFFFAOYSA-N |